1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol

C19H25N3O2 — CID 13120480

IUPAC1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
SMILESOC(CCN1CCN(c2ccccn2)CC1)COc1ccccc1
InChIInChI=1S/C19H25N3O2/c23-17(16-24-18-6-2-1-3-7-18)9-11-21-12-14-22(15-13-21)19-8-4-5-10-20-19/h1-8,10,17,23H,9,11-16H2
InChIKeyBVCIVWYTVBBINQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.03
Rot. Bonds7

About 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol

1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol (PubChem CID 13120480) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
PubChem CID13120480
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
SMILESOC(CCN1CCN(c2ccccn2)CC1)COc1ccccc1
InChIInChI=1S/C19H25N3O2/c23-17(16-24-18-6-2-1-3-7-18)9-11-21-12-14-22(15-13-21)19-8-4-5-10-20-19/h1-8,10,17,23H,9,11-16H2
InChIKeyBVCIVWYTVBBINQ-UHFFFAOYSA-N
XLogP2.03
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol (CID 13120480) is 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol is OC(CCN1CCN(c2ccccn2)CC1)COc1ccccc1.
What is the InChIKey of 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
The InChIKey is BVCIVWYTVBBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-17(16-24-18-6-2-1-3-7-18)9-11-21-12-14-22(15-13-21)19-8-4-5-10-20-19/h1-8,10,17,23H,9,11-16H2.
What are the key properties of 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol has a molecular weight of 327.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 13120480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).